REMARK VINA RESULT: -6.0 1.931 2.329 REMARK 8 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_4 and C_16 REMARK 2 A between atoms: O_4 and C_17 REMARK 3 A between atoms: O_5 and C_20 REMARK 4 A between atoms: N_6 and C_10 REMARK 5 A between atoms: N_7 and C_23 REMARK 6 A between atoms: N_7 and C_24 REMARK 7 A between atoms: C_10 and C_13 REMARK 8 A between atoms: C_13 and C_16 ROOT ATOM 1 N UNL d 1 -5.215 16.370 -15.201 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -4.421 14.837 -13.584 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -2.065 15.455 -17.832 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -3.259 15.067 -15.694 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -2.253 14.722 -16.652 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -2.855 16.602 -17.986 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -4.177 16.072 -15.991 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -3.935 16.840 -17.111 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -3.382 14.549 -14.392 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -5.316 15.704 -14.045 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -1.101 15.114 -18.768 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 0.098 15.910 -18.731 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 1.372 15.169 -18.276 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 2.309 15.710 -17.176 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 2.328 15.077 -15.838 0.00 0.00 0.092 N ATOM 16 C UNL d 1 1.015 15.110 -15.158 0.00 0.00 0.298 C ATOM 17 C UNL d 1 0.529 16.532 -14.841 0.00 0.00 0.198 C ATOM 18 O UNL d 1 1.463 17.236 -14.012 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 2.781 17.243 -14.579 0.00 0.00 0.198 C ATOM 20 C UNL d 1 3.259 15.817 -14.924 0.00 0.00 0.298 C ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 11 12 ENDBRANCH 3 11 BRANCH 6 21 ATOM 21 O UNL d 1 -2.731 17.601 -18.915 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 -3.636 17.590 -20.006 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -2.295 13.843 -13.840 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -1.527 14.439 -13.583 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -2.016 12.476 -13.980 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -0.755 11.940 -13.667 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -0.492 10.579 -13.836 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 1.060 9.959 -13.424 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -1.481 9.747 -14.341 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -1.258 8.435 -14.501 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -2.723 10.263 -14.696 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -2.986 11.624 -14.525 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8